95681

Source:http://linkedlifedata.com/resource/chembl/compound/95681

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:95681	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:95681	chemicalCompound:standardIn...	InChI=1S/C13H16N4/c1-2-9-3-5-10(6-4-9)7-11-8-16-13(15)17-12(11)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)	lld:chembl
chemicalCompound:95681	chemicalCompound:standardIn...	XQPXBKQHMJVIHI-UHFFFAOYSA-N	lld:chembl
chemicalCompound:95681	chemicalCompound:canonicalS...	CCc1ccc(Cc2cnc(N)nc2N)cc1	lld:chembl
chemicalCompound:95681	chemicalCompound:molecularF...	C13 H16 N4	lld:chembl
chemicalCompound:95681	chemicalCompound:moleculeId	95681	lld:chembl
chemicalCompound:95681	chemicalCompound:mwFreebase	228.293	lld:chembl
chemicalCompound:95681	chemicalCompound:alogp	2.535	lld:chembl
chemicalCompound:95681	chemicalCompound:hba	4	lld:chembl
chemicalCompound:95681	chemicalCompound:hbd	2	lld:chembl
chemicalCompound:95681	chemicalCompound:psa	77.81	lld:chembl
chemicalCompound:95681	chemicalCompound:rtb	3	lld:chembl
chemicalCompound:95681	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:95681	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:95681	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:95681	chemicalCompound:acdLogP	2.532	lld:chembl
chemicalCompound:95681	chemicalCompound:acdLogD	2.357	lld:chembl
chemicalCompound:95681	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:95681	chemicalCompound:fullMwt	228.293	lld:chembl
chemicalCompound:95681	chemicalCompound:acdMostBpk...	7.088	lld:chembl
chemicalCompound:95681	chemicalCompound:chemblId	CHEMBL60029	lld:chembl
chemicalCompound:95681	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:95681	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:95681	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:95681	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:95681	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:95681	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:95681	chemicalCompound:oral	No	lld:chembl
chemicalCompound:95681	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:95681	chemicalCompound:topical	No	lld:chembl
chemicalCompound:95681	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:95681	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:95681	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986019	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986020	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986021	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986022	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986023	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986024	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986025	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986026	lld:chembl
chemicalCompound:95681	chemicalCompound:activity	activity:986027	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:95681	lld:chembl